2-[(Triphenylphosphinyl)-carbonyl-(cyclopentadienyl)-iron]-5-(2'-N-methylpyridynium)thiophene - (trifluoromethyl) salt - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	EpHHHN0KRiy
InChI	InChI=1S/C18H15P.C10H9NS.C5H4.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-3-2-5-9(11)10-6-4-8-12-10;1-2-4-5-3-1;1-2;/h1-15H;2-7H,1H3;1,4H,2H2;;/q;+1;;+1;+2/p+1
InChIKey	HRQMJRIGBLNDJS-UHFFFAOYSA-O Google Search
Mol Weight	586.5 g/mol
Molecular Formula	C34H29FeNOPS
Exact Mass	586.105684 g/mol

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SpectraBase Spectrum ID	LtU7w9TaSMr
Name	2-[(Triphenylphosphinyl)-carbonyl-(cyclopentadienyl)-iron]-5-(2'-N-methylpyridynium)thiophene - (trifluoromethyl) salt
Alternate Name(s)	2-[(Triphenylphosphinyl)-carbonyl-(cyclopentadienyl)-iron]-5-(2'-N-methylpyridynium)thiophene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H29FeNOPS
InChI	InChI=1S/C18H15P.C10H9NS.C5H4.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-3-2-5-9(11)10-6-4-8-12-10;1-2-4-5-3-1;1-2;/h1-15H;2-7H,1H3;1,4H,2H2;;/q;+1;;+1;+2/p+1
InChIKey	HRQMJRIGBLNDJS-UHFFFAOYSA-O
Molecular Weight	586.491 g/mol
SMILES	P([Fe+3]1(C2=CCC=C12)(c1sc(-c2[n+](C)cccc2)cc1)C#[O+])(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH	splash10-08fr-0590000000-3ebf4b527d64f6042726
Source of Spectrum	KA-0-4431-0
Wiley ID	1409057